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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-17326
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'P', 'O']
  • Chemical System: O-P-Ti
  • Density: 4.9079910213157865
  • Atomic Density: 0.08584819616769922
  • Unit Cell Volume: 69.89081038207682
  • Molar Volume: 7.014871632522268
  • Full Formula: Ti3 P1 O2
  • Reduced Formula: Ti3PO2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1